Mathematical Modeling of CO2 Reforming of Methane with Reverse Water-Gas Shift Reaction

IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Kinetics and Catalysis Pub Date : 2023-10-05 DOI:10.1134/S0023158423050087
Ahmad Reza Rahimi, Habib AleEbrahim, Morteza Sohrabi, Seyed Mohammad Mahdi Nouri
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Abstract

Synthesis gas is the cornerstone of many chemical processes for manufacturing a broad range of petrochemical products. In this work, a mathematical model was developed for investigation of the CO2 reforming of methane in a catalytic packed bed reactor. To simulate the reformer, a pseudo homogenous two-dimensional mathematical model was developed and the resulting nonlinear second order partial differential equations were solved using the finite difference method. It was assumed that equilibrium reverse water-gas shift reaction always takes place in the reactor to adjust H2/CO ratio (≤1). The effect of operating conditions, including bulk density, porosity, inlet gas and wall temperature, reactor diameter, total molar flow of gas and inlet CH4/CO2 ratio on the reactor performance were investigated. Finally, the study investigated the effect of H2/CO ratio on the outlet synthesis gas product at the range of 0.7–1. The validity of the model was investigated and the deviation between the model results and the experimental data was acceptable.

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甲烷水煤气变换反反应CO2重整的数学模型
合成气是制造各种石化产品的许多化学工艺的基石。在这项工作中,建立了一个数学模型,用于研究甲烷在催化填充床反应器中的CO2重整。为了模拟重整器,建立了一个伪齐次二维数学模型,并使用有限差分法求解了由此产生的非线性二阶偏微分方程。假设反应器中总是发生平衡的逆水煤气变换反应来调节H2/CO比(≤1)。研究了体积密度、孔隙率、入口气体和壁温、反应器直径、气体总摩尔流量和入口CH4/CO2比等操作条件对反应器性能的影响。最后,研究了在0.7–1范围内H2/CO比例对出口合成气产物的影响。研究了模型的有效性,模型结果与实验数据之间的偏差是可以接受的。
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来源期刊
Kinetics and Catalysis
Kinetics and Catalysis 化学-物理化学
CiteScore
2.10
自引率
27.30%
发文量
64
审稿时长
6-12 weeks
期刊介绍: Kinetics and Catalysis Russian is a periodical that publishes theoretical and experimental works on homogeneous and heterogeneous kinetics and catalysis. Other topics include the mechanism and kinetics of noncatalytic processes in gaseous, liquid, and solid phases, quantum chemical calculations in kinetics and catalysis, methods of studying catalytic processes and catalysts, the chemistry of catalysts and adsorbent surfaces, the structure and physicochemical properties of catalysts, preparation and poisoning of catalysts, macrokinetics, and computer simulations in catalysis. The journal also publishes review articles on contemporary problems in kinetics and catalysis. The journal welcomes manuscripts from all countries in the English or Russian language.
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